Found 1565 results

Search term: MF = 'C_{31}H_{42}N_{4}O_{3}'
ChemSpider 2D Image | 1-Isobutoxy-3-{4-[6-(methoxymethyl)-5-(4-methylbenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol | C31H42N4O3

1-Isobutoxy-3-{4-[6-(methoxymethyl)-5-(4-methylbenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol

  • Molecular FormulaC31H42N4O3
  • Average mass518.690 Da
  • Monoisotopic mass518.325684 Da
  • ChemSpider ID22697054

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Isobutoxy-3-{4-[6-(methoxymethyl)-5-(4-methylbenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol [ACD/IUPAC Name]
1-Isobutoxy-3-{4-[6-(methoxymethyl)-5-(4-methylbenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol [German] [ACD/IUPAC Name]
1-Isobutoxy-3-{4-[6-(méthoxyméthyl)-5-(4-méthylbenzyl)-2-phényl-4-pyrimidinyl]-1-pipérazinyl}-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, 4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-α-[(2-methylpropoxy)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 103.54
ACD/KOC (pH 5.5): 299.52
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 4744.25
ACD/KOC (pH 7.4): 13723.70
Polar Surface Area: 71 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 464.1±3.0 cm3

Click to predict properties on the Chemicalize site


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